15085-74-2 ([7,10'-联-4H-萘并[2,3-b]吡喃]-4,4'-二酮，5,5'-二羟基-6,6'，8,8'-四甲氧基-2,2'-二甲基-,[7,10'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione,5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-)

快速询单

结构式：

[7,10'-联-4H-萘并[2,3-b]吡喃]-4,4'-二酮，5,5'-二羟基-6,6'，8,8'-四甲氧基-2,2'-二甲基-MOL文件

CAS号：

15085-74-2

中文名称：

[7,10'-联-4H-萘并[2,3-b]吡喃]-4,4'-二酮，5,5'-二羟基-6,6'，8,8'-四甲氧基-2,2'-二甲基-

英文名称：

[7,10'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione,5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-

分子式：

C₃₂H₂₆O₁₀

分子量：

570.542850017548

[7,10'-联-4H-萘并[2,3-b]吡喃]-4,4'-二酮，5,5'-二羟基-6,6'，8,8'-四甲氧基-2,2'-二甲基-(15085-74-2)名称与标识符

名称

英文别名：

[7,10'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione,5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-;(7,10'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-;5,5'-Dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-7,10'-bi[4H-naphtho[2,3-b]pyran]-4,4'-dione;5-hydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one;15085-74-2;Aurasperone;(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 5,5'-DIHYDROXY-6,6',8,8'-TETRAMETHOXY-2,2'-DIMETHYL-, (7S)-;B9PTQ8Z021;CHEMBL450763;Isoaurasperone A;CHEBI:133760;5,5'-Dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI;5-HYDROXY-10-{5-HYDROXY-6,8-DIMETHOXY-2-METHYL-4-OXO-4H-BENZO[G]CHROMEN-7-YL}-6,8-DIMETHOXY-2-METHYL-4H-BENZO[G]CHROMEN-4-ONE;5-hydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-benzo[g]chromen-10-yl)-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one;Aurasperone A;Q27274553;UNII-B9PTQ8Z021;DTXSID30164629;Aurosperone A;

标识符

InChIKey：

QAHRSPAZSGMZMT-UHFFFAOYSA-N

Inchi：

1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3

SMILES：

O1C(C)=CC(C2=C(C3C(=CC(=CC=3C(=C12)C1C(=CC2=CC3=C(C(C=C(C)O3)=O)C(=C2C=1OC)O)OC)OC)OC)O)=O

[7,10'-联-4H-萘并[2,3-b]吡喃]-4,4'-二酮，5,5'-二羟基-6,6'，8,8'-四甲氧基-2,2'-二甲基-(15085-74-2)物化性质

实验特性

PSA : 129.98

计算特性

精确分子量 : 570.15258
氢键供体数量 : 2
氢键受体数量 : 10
可旋转化学键数量 : 5
同位素质量 : 570.15259702g/mol
重原子数量 : 42
复杂度 : 1120
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 6.3
拓扑分子极性表面积 : 130Å²

[7,10'-联-4H-萘并[2,3-b]吡喃]-4,4'-二酮，5,5'-二羟基-6,6'，8,8'-四甲氧基-2,2'-二甲基-(15085-74-2)相关文献

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